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Compound InformationSONAR Target prediction
Name:

BUCLADESINE

Unique Identifier:SPE01503043
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:445.195 g/mol
X log p:2.342  (online calculus)
Lipinksi Failures1
TPSA138.26
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:9
Canonical Smiles:CCCC(=O)Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1OC(=O)CCC
Source:synthetic
Therapeutics:vasodilator

Found: 205 nonactive as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: HXK2
Replicates: 2
Raw OD Value: r im 0.7603±0.00205061
Normalized OD Score: sc h 0.9961±0.00139477
Z-Score: -0.1762±0.0642339
p-Value: 0.86029
Z-Factor: -54.22
Fitness Defect: 0.1505
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-03-05 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00042
Plate DMSO Control (-):0.747125±0.01079
Plate Z-Factor:0.9378
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DBLink | Rows returned: 121 2 Next >> 
2460 [8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl]
butanoate
3029 [8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl]
butanoate
9687 [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0
]non-9-yl] butanoate
167813 sodium
[(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
on-9-yl] butanoate
2724338 sodium
[(1R,6R,7R,8R)-8-[6-(butanoylamino)purin-9-yl]-4-oxido-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]n
on-7-yl] butanoate hydrate
5702210 [(1R,6R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no
n-9-yl] butanoate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 11040 | Additional Members: 3 | Rows returned: 2
LAT007H04 0.41304347826087
Prest32 0.369565217391304

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